#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nin n THR 2 N 0.00 0.00 -1.57 6.31 5.66 -0.66 -4.25 114.28 119.78 1nin n THR 2 Ca 0.00 -0.39 -0.47 0.00 -3.05 0.00 0.00 64.05 60.14 1nin n THR 2 Cb 0.00 -0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 68.28 1nin n THR 2 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1nin n TYR 3 N 7.24 1.94 -1.53 1.09 4.01 -0.58 -3.82 117.16 125.51 1nin n TYR 3 Ca 0.10 0.06 -0.29 0.00 -0.16 0.00 0.00 57.90 57.60 1nin n TYR 3 Cb 0.44 -2.64 -0.10 0.00 -0.31 0.00 0.00 39.34 36.73 1nin n TYR 3 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1nin n THR 4 N 6.78 -0.03 -4.36 -0.72 -1.04 -1.26 -0.70 114.28 112.94 1nin n THR 4 Ca 0.32 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.05 61.51 1nin n THR 4 Cb 0.32 -1.58 -0.09 0.00 -1.82 0.00 0.00 70.33 67.16 1nin n THR 4 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nin s VAL 5 N 10.07 4.13 -0.20 12.58 1.01 0.13 -4.76 120.40 143.36 1nin s VAL 5 Ca 1.11 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 1nin s VAL 5 Cb -0.53 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1nin s VAL 5 CO 0.32 0.48 0.05 -0.75 0.00 0.00 0.00 175.10 175.20 1nin s LYS 6 N -1.24 3.85 -1.15 2.72 2.20 0.11 -0.87 119.74 125.35 1nin s LYS 6 Ca 0.17 -0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.26 1nin s LYS 6 Cb -0.11 -3.21 0.24 0.00 -1.51 0.00 0.00 37.83 33.24 1nin s LYS 6 CO 0.06 0.14 1.23 -0.51 -0.36 0.00 0.00 175.35 175.92 1nin s LEU 7 N 0.73 5.87 0.00 5.43 1.43 0.46 -0.76 118.68 131.84 1nin s LEU 7 Ca 0.03 -3.39 0.00 0.00 -1.03 0.00 0.00 54.13 49.74 1nin s LEU 7 Cb -0.13 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1nin s LEU 7 CO 0.02 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1nin n GLY 8 N 3.20 3.36 2.64 -3.19 0.00 0.40 -3.62 105.19 107.97 1nin n GLY 8 Ca 0.29 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1nin n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nin n SER 9 N 0.00 4.02 0.00 1.61 7.64 0.42 -4.77 113.62 122.54 1nin n SER 9 Ca 0.00 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.50 1nin n SER 9 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1nin n SER 9 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nin n ASP 10 N 1.22 0.00 -3.00 6.43 9.92 -1.26 -4.24 116.55 125.62 1nin n ASP 10 Ca 0.27 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.23 1nin n ASP 10 Cb 0.39 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.81 1nin n ASP 10 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1nin n LYS 11 N 0.00 3.03 0.00 -1.24 4.81 -1.26 -4.70 118.16 118.80 1nin n LYS 11 Ca 0.00 -1.79 0.00 0.00 -0.87 0.00 0.00 58.31 55.65 1nin n LYS 11 Cb 0.00 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.50 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nin n GLY 12 N 3.37 1.87 0.00 3.14 0.00 -1.26 -4.95 105.19 107.36 1nin n GLY 12 Ca 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1nin n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nin n LEU 13 N 0.00 0.00 -3.29 0.99 4.77 -1.26 -4.74 117.00 113.48 1nin n LEU 13 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1nin n LEU 13 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1nin n LEU 13 CO 0.00 0.00 2.80 0.18 -1.33 0.00 0.00 177.39 179.04 1nin n LEU 14 N 0.00 6.59 -4.98 2.23 4.77 -1.26 -0.44 117.00 123.91 1nin n LEU 14 Ca 0.00 -3.57 -0.19 0.00 -0.03 0.00 0.00 56.01 52.21 1nin n LEU 14 Cb 0.00 -1.32 0.02 0.00 -2.33 0.00 0.00 43.42 39.79 1nin n LEU 14 CO 0.00 1.19 0.17 -0.69 -1.33 0.00 0.00 177.39 176.74 1nin s VAL 15 N 2.98 2.56 -0.29 4.08 1.01 -1.26 -3.52 120.40 125.95 1nin s VAL 15 Ca 0.53 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1nin s VAL 15 Cb 0.14 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.90 1nin s VAL 15 CO -0.04 0.00 -0.02 -0.36 0.00 0.00 0.00 175.10 174.68 1nin s PHE 16 N -2.51 3.25 -0.09 5.22 0.08 -1.26 0.15 117.98 122.82 1nin s PHE 16 Ca 0.54 -1.89 0.02 0.00 0.12 0.00 0.00 56.93 55.71 1nin s PHE 16 Cb -0.07 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1nin s PHE 16 CO 0.33 -0.81 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.50 1nin s GLU 17 N 1.24 3.00 -0.96 0.44 2.12 0.06 0.71 118.70 125.32 1nin s GLU 17 Ca -0.05 -0.69 -0.24 0.00 0.36 0.00 0.00 54.97 54.34 1nin s GLU 17 Cb -0.20 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 1nin s GLU 17 CO -0.02 0.39 1.87 -1.25 -0.54 0.00 0.00 175.26 175.72 1nin s PRO 18 N -0.11 2.72 0.00 4.30 0.04 -1.26 0.08 135.00 140.76 1nin s PRO 18 Ca -0.02 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1nin s PRO 18 Cb -0.14 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1nin s PRO 18 CO 0.04 -3.27 0.00 0.00 0.04 0.00 0.00 177.00 173.81 1nin n ALA 19 N 13.23 0.00 -3.47 8.56 0.00 0.22 -4.20 120.51 134.85 1nin n ALA 19 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1nin n ALA 19 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 1nin n ALA 19 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nin s LYS 20 N 0.00 2.82 -0.30 0.00 1.02 -1.26 -0.06 119.74 121.96 1nin s LYS 20 Ca 0.00 -1.02 -0.07 0.00 0.02 0.00 0.00 55.97 54.91 1nin s LYS 20 Cb 0.00 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1nin s LYS 20 CO 0.00 -0.49 0.08 -1.17 -0.92 0.00 0.00 175.35 172.85 1nin s LEU 21 N 1.38 3.91 -0.95 3.17 1.98 0.84 -5.00 118.68 124.00 1nin s LEU 21 Ca -0.00 -0.78 -0.16 0.00 -2.89 0.00 0.00 54.13 50.31 1nin s LEU 21 Cb -0.18 -1.88 0.18 0.00 0.66 0.00 0.00 46.19 44.98 1nin s LEU 21 CO -0.01 -0.21 1.05 -0.89 -1.89 0.00 0.00 176.35 174.40 1nin s THR 22 N 1.48 5.19 1.07 3.68 2.01 -1.26 -0.15 115.64 127.66 1nin s THR 22 Ca 0.02 -2.19 -0.18 0.00 0.31 0.00 0.00 61.69 59.65 1nin s THR 22 Cb -0.17 -4.68 0.26 0.00 0.01 0.00 0.00 72.50 67.91 1nin s THR 22 CO 0.02 -1.33 1.15 2.30 -0.69 0.00 0.00 174.62 176.07 1nin n ILE 23 N 4.61 0.00 -4.16 1.82 -5.35 0.20 -4.77 119.36 111.71 1nin n ILE 23 Ca 0.22 -0.67 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 1nin n ILE 23 Cb 0.47 -1.36 -0.05 0.00 -1.74 0.00 0.00 39.64 36.95 1nin n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1nin s LYS 24 N -5.55 2.68 -0.08 6.28 3.01 -1.26 -2.33 119.74 122.48 1nin s LYS 24 Ca 0.70 -1.21 -0.11 0.00 -1.01 0.00 0.00 55.97 54.34 1nin s LYS 24 Cb -0.05 -2.41 -0.13 0.00 -1.01 0.00 0.00 37.83 34.24 1nin s LYS 24 CO 0.51 0.36 1.00 -0.35 0.51 0.00 0.00 175.35 177.38 1nin n PRO 25 N -1.09 0.01 0.00 -1.68 -0.04 -1.26 -3.10 135.00 127.84 1nin n PRO 25 Ca -0.07 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1nin n PRO 25 Cb 0.58 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1nin n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 26 N 4.25 0.91 3.47 0.55 0.00 -1.24 -4.82 105.19 108.32 1nin n GLY 26 Ca 0.17 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1nin n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nin s ASP 27 N 0.00 2.52 0.15 1.61 -1.08 -1.18 -4.92 116.67 113.78 1nin s ASP 27 Ca 0.00 -1.65 0.08 0.00 -0.52 0.00 0.00 52.55 50.46 1nin s ASP 27 Cb 0.00 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.88 1nin s ASP 27 CO 0.00 -0.92 -0.08 -0.89 0.52 0.00 0.00 175.17 173.81 1nin s THR 28 N -3.28 3.36 0.03 1.71 2.01 -1.26 -1.34 115.64 116.86 1nin s THR 28 Ca 0.27 -1.48 0.07 0.00 0.31 0.00 0.00 61.69 60.86 1nin s THR 28 Cb 0.03 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1nin s THR 28 CO 0.16 -0.04 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.15 1nin s VAL 29 N -1.55 1.72 -0.18 3.82 1.01 0.33 -1.52 120.40 124.03 1nin s VAL 29 Ca 0.24 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1nin s VAL 29 Cb -0.10 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1nin s VAL 29 CO 0.15 0.31 -0.04 -0.70 0.00 0.00 0.00 175.10 174.82 1nin s GLU 30 N -0.97 3.54 -0.42 2.72 2.12 0.12 -0.77 118.70 125.04 1nin s GLU 30 Ca 0.08 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 1nin s GLU 30 Cb -0.09 -2.94 0.11 0.00 0.26 0.00 0.00 34.13 31.48 1nin s GLU 30 CO 0.01 0.07 0.22 -0.06 -0.54 0.00 0.00 175.26 174.96 1nin s PHE 31 N 0.80 3.58 -0.24 5.30 0.40 -1.26 0.20 117.98 126.75 1nin s PHE 31 Ca -0.01 -2.42 -0.10 0.00 -0.60 0.00 0.00 56.93 53.79 1nin s PHE 31 Cb -0.15 -3.23 -0.05 0.00 0.51 0.00 0.00 43.02 40.10 1nin s PHE 31 CO 0.02 -0.97 0.16 -1.17 0.70 0.00 0.00 175.22 173.96 1nin s LEU 32 N 1.08 4.09 -1.54 -0.37 0.20 -0.05 -0.92 118.68 121.17 1nin s LEU 32 Ca 0.09 0.10 -0.09 0.00 0.69 0.00 0.00 54.13 54.91 1nin s LEU 32 Cb -0.23 -2.10 -0.05 0.00 -0.43 0.00 0.00 46.19 43.38 1nin s LEU 32 CO -0.04 0.06 2.86 -0.46 -0.29 0.00 0.00 176.35 178.48 1nin n ASN 33 N 4.31 8.58 0.00 3.68 6.94 0.00 -0.40 115.26 138.37 1nin n ASN 33 Ca -0.15 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 51.72 1nin n ASN 33 Cb 0.52 -1.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.42 1nin n ASN 33 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1nin n ASN 34 N 3.18 0.00 0.00 0.53 4.05 -1.24 -2.89 115.26 118.89 1nin n ASN 34 Ca 0.75 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.78 1nin n ASN 34 Cb 0.25 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.26 1nin n ASN 34 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1nin n LYS 35 N 0.00 1.27 -3.83 1.20 3.00 -1.26 -3.20 118.16 115.34 1nin n LYS 35 Ca 0.00 -0.17 -0.28 0.00 -0.00 0.00 0.00 58.31 57.86 1nin n LYS 35 Cb 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 35.03 34.33 1nin n LYS 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1nin s VAL 36 N -0.23 2.42 0.88 3.15 -7.23 -1.25 -4.97 120.40 113.17 1nin s VAL 36 Ca 0.00 -3.83 -0.14 0.00 -1.81 0.00 0.00 61.98 56.21 1nin s VAL 36 Cb 0.00 -2.61 0.13 0.00 0.56 0.00 0.00 36.38 34.46 1nin s VAL 36 CO 0.00 -1.00 1.22 -2.16 -0.31 0.00 0.00 175.10 172.85 1nin s PRO 37 N -0.98 1.35 -0.26 4.82 0.04 -1.26 -4.53 135.00 134.18 1nin s PRO 37 Ca 0.24 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.14 1nin s PRO 37 Cb -0.08 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1nin s PRO 37 CO -0.14 -1.99 0.17 -1.25 0.04 0.00 0.00 177.00 173.83 1nin s PRO 38 N -5.64 4.00 -1.31 0.56 0.04 -1.26 -5.07 135.00 126.32 1nin s PRO 38 Ca 0.66 -0.30 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 1nin s PRO 38 Cb -0.09 -3.58 0.06 0.00 0.04 0.00 0.00 34.50 30.93 1nin s PRO 38 CO 0.51 -0.05 1.79 0.72 0.04 0.00 0.00 177.00 180.01 1nin n HIS 39 N 4.64 4.49 -2.44 0.56 8.25 -1.26 -4.60 115.22 124.86 1nin n HIS 39 Ca -0.15 -2.80 -0.38 0.00 -0.26 0.00 0.00 57.72 54.13 1nin n HIS 39 Cb 0.52 -2.63 -0.03 0.00 1.12 0.00 0.00 29.99 28.97 1nin n HIS 39 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1nin s ASN 40 N 4.21 6.25 -0.06 0.41 3.84 -1.26 -4.41 114.94 123.92 1nin s ASN 40 Ca 0.54 -1.55 -0.04 0.00 0.21 0.00 0.00 52.86 52.02 1nin s ASN 40 Cb 0.05 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 1nin s ASN 40 CO 0.07 -1.75 0.15 0.68 -2.79 0.00 0.00 177.10 173.45 1nin s VAL 41 N 6.09 5.33 0.49 -5.21 -7.23 -1.26 -3.43 120.40 115.17 1nin s VAL 41 Ca 0.53 -0.05 0.06 0.00 -1.81 0.00 0.00 61.98 60.72 1nin s VAL 41 Cb -0.00 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.54 1nin s VAL 41 CO -0.03 0.46 0.34 0.68 -0.31 0.00 0.00 175.10 176.24 1nin s VAL 42 N -1.17 1.98 -0.17 1.32 -7.23 0.10 -0.28 120.40 114.95 1nin s VAL 42 Ca 0.21 -1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1nin s VAL 42 Cb -0.12 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1nin s VAL 42 CO 0.12 0.00 0.08 -0.36 -0.31 0.00 0.00 175.10 174.62 1nin s PHE 43 N -2.68 3.30 1.08 2.82 0.40 -1.13 -0.58 117.98 121.19 1nin s PHE 43 Ca 0.37 0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 56.72 1nin s PHE 43 Cb -0.01 -2.05 0.14 0.00 0.51 0.00 0.00 43.02 41.60 1nin s PHE 43 CO 0.22 0.26 0.44 -3.47 0.70 0.00 0.00 175.22 173.37 1nin n ASP 44 N 3.26 -1.92 -0.03 1.36 2.03 -0.13 -4.54 116.55 116.58 1nin n ASP 44 Ca -0.17 0.02 -0.06 0.00 0.52 0.00 0.00 54.79 55.11 1nin n ASP 44 Cb 0.53 -1.13 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 1nin n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nin n ALA 45 N -4.35 2.21 -0.20 -1.67 0.00 -1.26 -4.49 120.51 110.76 1nin n ALA 45 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.21 1nin n ALA 45 Cb 0.57 0.38 0.11 0.00 0.00 0.00 0.00 19.45 20.52 1nin n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nin h ALA 46 N -0.12 0.70 -0.64 0.00 0.00 -1.95 -2.13 119.26 115.12 1nin h ALA 46 Ca -0.16 0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1nin h ALA 46 Cb 1.18 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 1nin h ALA 46 CO -0.06 -0.32 0.22 1.28 0.00 0.00 0.00 179.25 180.37 1nin n LEU 47 N -5.15 5.54 -4.65 0.00 7.99 -1.26 -4.91 117.00 114.56 1nin n LEU 47 Ca 0.09 -3.32 -0.38 0.00 -0.01 0.00 0.00 56.01 52.38 1nin n LEU 47 Cb 0.33 -0.71 -0.08 0.00 -0.11 0.00 0.00 43.42 42.85 1nin n LEU 47 CO 0.16 0.88 0.10 0.21 -1.51 0.00 0.00 177.39 177.24 1nin s ASN 48 N -1.43 6.40 0.11 -1.43 2.47 -0.80 -2.59 114.94 117.65 1nin s ASN 48 Ca 0.52 0.47 -0.20 0.00 0.42 0.00 0.00 52.86 54.06 1nin s ASN 48 Cb 0.43 -2.23 -0.05 0.00 -1.45 0.00 0.00 41.25 37.95 1nin s ASN 48 CO 0.10 -0.11 1.22 -0.81 -3.72 0.00 0.00 177.10 173.78 1nin n PRO 49 N 4.73 -0.29 -1.59 0.43 -0.04 -1.26 0.35 135.00 137.32 1nin n PRO 49 Ca -0.08 1.20 -0.34 0.00 -0.04 0.00 0.00 63.50 64.24 1nin n PRO 49 Cb 0.51 -1.77 0.06 0.00 -0.04 0.00 0.00 33.50 32.26 1nin n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 50 N -3.24 6.11 -3.02 0.55 0.00 -1.26 -4.96 120.51 114.70 1nin n ALA 50 Ca 0.01 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.77 1nin n ALA 50 Cb 0.17 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1nin n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 51 N -0.80 -0.69 -2.79 0.00 4.01 0.15 -4.92 118.16 113.12 1nin n LYS 51 Ca 0.57 -0.34 -0.17 0.00 -0.51 0.00 0.00 58.31 57.85 1nin n LYS 51 Cb 0.63 0.62 0.06 0.00 -0.51 0.00 0.00 35.03 35.83 1nin n LYS 51 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1nin n SER 52 N 0.72 1.90 -0.05 4.39 3.41 -1.26 -5.03 113.62 117.70 1nin n SER 52 Ca 0.00 -2.38 -0.11 0.00 -0.26 0.00 0.00 58.87 56.12 1nin n SER 52 Cb 0.00 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nin n ALA 53 N -2.39 2.32 -0.20 7.33 0.00 -1.26 -4.51 120.51 121.81 1nin n ALA 53 Ca -0.12 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 1nin n ALA 53 Cb 0.53 0.35 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 1nin n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nin n ASP 54 N -3.49 -0.51 0.19 0.00 5.68 -1.26 -0.92 116.55 116.25 1nin n ASP 54 Ca -0.20 0.94 -0.08 0.00 -0.50 0.00 0.00 54.79 54.95 1nin n ASP 54 Cb 0.62 -0.15 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 1nin n ASP 54 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1nin h LEU 55 N 0.00 -0.44 -0.49 -2.12 5.85 -1.98 -1.29 115.31 114.84 1nin h LEU 55 Ca 0.08 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.96 1nin h LEU 55 Cb 0.20 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1nin h LEU 55 CO -0.46 -0.21 0.05 0.00 -0.34 0.00 0.00 178.44 177.49 1nin n ALA 56 N -2.42 0.29 0.05 1.25 0.00 -0.44 0.33 120.51 119.57 1nin n ALA 56 Ca -0.06 0.52 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 1nin n ALA 56 Cb 0.20 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 1nin n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nin h LYS 57 N 0.00 0.24 -0.15 0.00 1.63 -1.05 0.14 116.57 117.39 1nin h LYS 57 Ca 0.32 -0.41 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 1nin h LYS 57 Cb 0.69 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1nin h LYS 57 CO -0.45 1.09 -0.41 0.77 -3.45 0.00 0.00 179.45 177.00 1nin h SER 58 N 0.07 0.36 0.07 4.20 0.02 0.11 -3.13 113.55 115.24 1nin h SER 58 Ca -0.27 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.39 1nin h SER 58 Cb 2.02 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 64.48 1nin h SER 58 CO 0.15 0.73 -0.58 0.25 -1.14 0.00 0.00 176.83 176.24 1nin h LEU 59 N 0.28 0.40 -9.24 5.07 5.85 -0.43 -3.46 115.31 113.78 1nin h LEU 59 Ca 0.03 -0.88 -0.60 0.00 0.84 0.00 0.00 57.88 57.26 1nin h LEU 59 Cb 0.85 -0.13 0.16 0.00 0.37 0.00 0.00 40.66 41.92 1nin h LEU 59 CO 0.07 1.24 -0.68 -1.54 -0.34 0.00 0.00 178.44 177.19 1nin n SER 60 N -4.26 -1.98 -3.02 1.25 3.41 0.48 -4.65 113.62 104.85 1nin n SER 60 Ca -0.12 0.78 -0.15 0.00 -0.26 0.00 0.00 58.87 59.12 1nin n SER 60 Cb 0.70 -1.02 0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1nin n SER 60 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nin n HIS 61 N -1.29 -3.49 0.00 7.33 8.25 0.61 -4.80 115.22 121.83 1nin n HIS 61 Ca 0.11 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 1nin n HIS 61 Cb 0.44 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1nin n HIS 61 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nin n LYS 62 N -3.11 2.83 -2.04 -0.41 4.76 -1.26 -4.89 118.16 114.04 1nin n LYS 62 Ca 0.08 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.46 1nin n LYS 62 Cb 0.29 -0.69 -0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1nin n LYS 62 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1nin n GLN 63 N -0.82 1.37 -4.52 1.97 3.00 -1.26 -5.16 117.38 111.96 1nin n GLN 63 Ca 0.00 -0.71 -0.21 0.00 -0.01 0.00 0.00 57.00 56.06 1nin n GLN 63 Cb 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 30.24 30.18 1nin n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nin s LEU 64 N 0.00 1.95 -1.35 1.08 1.02 -1.26 -4.64 118.68 115.48 1nin s LEU 64 Ca 0.06 -0.22 -0.15 0.00 0.02 0.00 0.00 54.13 53.84 1nin s LEU 64 Cb -0.00 -0.63 0.08 0.00 0.02 0.00 0.00 46.19 45.66 1nin s LEU 64 CO 0.04 0.13 1.91 0.18 0.02 0.00 0.00 176.35 178.63 1nin n LEU 65 N 2.95 5.91 0.00 1.79 4.32 -1.26 -4.73 117.00 125.99 1nin n LEU 65 Ca -0.15 -4.14 0.12 0.00 -0.02 0.00 0.00 56.01 51.81 1nin n LEU 65 Cb 0.55 -1.67 0.69 0.00 -1.62 0.00 0.00 43.42 41.37 1nin n LEU 65 CO 0.25 0.72 0.91 0.80 -1.22 0.00 0.00 177.39 178.85 1nin n MET 66 N 6.71 0.88 -3.34 3.23 1.56 -1.26 -3.98 117.12 120.91 1nin n MET 66 Ca 0.48 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 57.53 1nin n MET 66 Cb 0.42 -1.41 -0.03 0.00 2.15 0.00 0.00 33.22 34.34 1nin n MET 66 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1nin n SER 67 N -0.91 5.08 -3.40 6.12 3.41 -1.26 -5.02 113.62 117.63 1nin n SER 67 Ca 0.17 -3.27 -0.06 0.00 -0.26 0.00 0.00 58.87 55.45 1nin n SER 67 Cb 0.08 -1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 62.86 1nin n SER 67 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1nin n PRO 68 N 1.77 0.00 0.00 4.33 -0.04 -1.26 -0.90 135.00 138.89 1nin n PRO 68 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1nin n PRO 68 Cb 0.37 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 1nin n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 69 N 3.95 0.77 3.95 0.55 0.00 -1.14 -4.87 105.19 108.40 1nin n GLY 69 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1nin n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nin s GLN 70 N 0.00 2.72 0.01 1.61 0.74 -0.08 -4.71 119.66 119.96 1nin s GLN 70 Ca 0.00 -0.51 0.07 0.00 0.05 0.00 0.00 55.36 54.97 1nin s GLN 70 Cb 0.00 -2.44 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 1nin s GLN 70 CO 0.00 -0.64 -0.19 0.45 -0.55 0.00 0.00 175.29 174.36 1nin s SER 71 N -4.35 3.69 -0.59 6.67 0.15 -1.26 -0.82 113.70 117.19 1nin s SER 71 Ca 0.54 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.82 1nin s SER 71 Cb -0.10 -0.60 0.39 0.00 -1.71 0.00 0.00 66.02 64.00 1nin s SER 71 CO 0.40 0.28 1.41 1.07 1.20 0.00 0.00 173.24 177.61 1nin n THR 72 N 1.86 2.87 -1.66 6.45 5.66 -0.10 -4.94 114.28 124.42 1nin n THR 72 Ca -0.16 -4.78 -0.62 0.00 -3.05 0.00 0.00 64.05 55.43 1nin n THR 72 Cb 0.52 -1.27 -0.09 0.00 -1.55 0.00 0.00 70.33 67.94 1nin n THR 72 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1nin n SER 73 N -0.48 1.11 -4.17 1.09 3.41 -1.26 -4.41 113.62 108.91 1nin n SER 73 Ca 0.44 1.16 -0.15 0.00 -0.26 0.00 0.00 58.87 60.05 1nin n SER 73 Cb 0.50 -0.96 -0.11 0.00 -0.26 0.00 0.00 64.21 63.38 1nin n SER 73 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1nin s THR 74 N 2.01 0.97 0.36 6.66 2.01 0.05 -4.96 115.64 122.75 1nin s THR 74 Ca 0.98 -1.51 0.08 0.00 0.31 0.00 0.00 61.69 61.56 1nin s THR 74 Cb -1.31 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1nin s THR 74 CO 0.69 -0.45 0.07 0.28 -0.69 0.00 0.00 174.62 174.52 1nin s THR 75 N -2.02 2.59 -0.73 -0.82 -1.32 -1.26 -0.52 115.64 111.57 1nin s THR 75 Ca 0.02 -1.87 0.03 0.00 -1.21 0.00 0.00 61.69 58.66 1nin s THR 75 Cb -0.06 -2.88 0.30 0.00 -1.51 0.00 0.00 72.50 68.36 1nin s THR 75 CO 0.01 -0.15 1.06 0.49 -2.21 0.00 0.00 174.62 173.82 1nin n PHE 76 N -1.04 3.50 0.00 9.09 3.72 -0.45 -4.97 117.46 127.31 1nin n PHE 76 Ca -0.03 -3.68 0.00 0.00 -0.05 0.00 0.00 57.45 53.68 1nin n PHE 76 Cb 0.63 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1nin n PHE 76 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1nin n PRO 77 N 0.41 0.00 0.00 -1.08 -0.04 -1.26 -3.58 135.00 129.44 1nin n PRO 77 Ca 0.32 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1nin n PRO 77 Cb 0.37 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 1nin n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 78 N -1.49 1.41 0.11 0.55 0.00 -1.26 -4.42 120.51 115.41 1nin n ALA 78 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1nin n ALA 78 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1nin n ALA 78 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nin h ASP 79 N 0.00 -0.77 0.00 0.00 2.03 -1.91 -3.43 116.42 112.34 1nin h ASP 79 Ca 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1nin h ASP 79 Cb 0.00 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1nin h ASP 79 CO 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 179.24 177.89 1nin n ALA 80 N -2.61 0.00 -1.12 4.15 0.00 -1.26 -4.72 120.51 114.95 1nin n ALA 80 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1nin n ALA 80 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1nin n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nin n PRO 81 N 0.00 3.02 -1.15 0.00 -0.04 -1.26 -4.64 135.00 130.93 1nin n PRO 81 Ca 0.00 -1.80 0.15 0.00 -0.04 0.00 0.00 63.50 61.81 1nin n PRO 81 Cb 0.00 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 30.85 1nin n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 82 N 3.48 -3.00 0.00 0.55 0.00 -1.26 -5.04 120.51 115.23 1nin n ALA 82 Ca 0.64 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.60 1nin n ALA 82 Cb 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1nin n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 83 N -3.86 2.75 3.26 0.00 0.00 0.12 -4.72 105.19 102.74 1nin n GLY 83 Ca -0.02 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.87 1nin n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nin n GLU 84 N 0.75 3.73 -2.16 1.61 2.13 -1.19 -1.80 120.64 123.71 1nin n GLU 84 Ca 0.00 -4.31 -0.40 0.00 0.66 0.00 0.00 57.16 53.11 1nin n GLU 84 Cb 0.00 -2.65 -0.02 0.00 0.27 0.00 0.00 31.44 29.04 1nin n GLU 84 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1nin s TYR 85 N -1.02 3.01 0.04 4.31 1.51 -0.12 -4.56 117.35 120.52 1nin s TYR 85 Ca 0.34 1.47 0.02 0.00 -1.01 0.00 0.00 57.07 57.88 1nin s TYR 85 Cb -0.04 -3.58 -0.04 0.00 -0.11 0.00 0.00 41.96 38.19 1nin s TYR 85 CO -0.02 -1.73 0.04 0.99 -1.11 0.00 0.00 175.55 173.72 1nin s THR 86 N -1.25 4.34 -0.26 -0.71 2.01 -1.26 -0.74 115.64 117.77 1nin s THR 86 Ca 0.53 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 1nin s THR 86 Cb -0.37 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1nin s THR 86 CO 0.47 0.25 0.48 -0.36 -0.69 0.00 0.00 174.62 174.77 1nin s PHE 87 N -1.24 3.26 -0.29 4.92 0.08 0.69 -0.96 117.98 124.44 1nin s PHE 87 Ca 0.24 0.57 -0.05 0.00 0.12 0.00 0.00 56.93 57.82 1nin s PHE 87 Cb -0.12 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1nin s PHE 87 CO 0.16 -0.27 0.03 -0.47 -0.10 0.00 0.00 175.22 174.58 1nin s TYR 88 N 2.24 3.16 -1.29 0.36 6.14 0.26 -0.57 117.35 127.65 1nin s TYR 88 Ca 0.19 -1.35 -0.08 0.00 0.64 0.00 0.00 57.07 56.47 1nin s TYR 88 Cb -0.16 -2.18 0.16 0.00 0.42 0.00 0.00 41.96 40.20 1nin s TYR 88 CO 0.09 -0.68 1.99 0.00 0.64 0.00 0.00 175.55 177.60 1nin n GLU 90 N 3.36 -0.00 0.12 0.00 -0.58 -1.22 0.18 120.64 122.50 1nin n GLU 90 Ca 0.45 0.02 0.17 0.00 -0.42 0.00 0.00 57.16 57.37 1nin n GLU 90 Cb 0.34 -0.03 0.53 0.00 -0.57 0.00 0.00 31.44 31.71 1nin n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1nin h PRO 91 N 0.00 0.00 -0.31 3.49 0.13 -1.88 0.34 132.00 133.77 1nin h PRO 91 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1nin h PRO 91 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1nin h PRO 91 CO -0.01 0.00 -0.60 0.72 -0.23 0.00 0.00 178.00 177.89 1nin n HIS 92 N -3.13 1.12 -3.05 1.56 8.25 0.13 -5.02 115.22 115.07 1nin n HIS 92 Ca 0.08 -1.79 -0.41 0.00 -0.26 0.00 0.00 57.72 55.33 1nin n HIS 92 Cb 0.88 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 1nin n HIS 92 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1nin s ARG 93 N -3.38 4.11 0.00 -0.41 3.00 0.12 -2.89 118.95 119.49 1nin s ARG 93 Ca 0.43 0.63 0.00 0.00 -1.00 0.00 0.00 55.73 55.79 1nin s ARG 93 Cb 0.39 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.68 1nin s ARG 93 CO -0.03 -0.46 0.00 0.41 0.00 0.00 0.00 175.30 175.23 1nin n GLY 94 N 4.08 3.58 2.50 8.12 0.00 -1.26 -4.91 105.19 117.30 1nin n GLY 94 Ca 0.01 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1nin n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nin n ALA 95 N 0.00 6.74 -1.13 4.61 0.00 -1.24 -4.85 120.51 124.64 1nin n ALA 95 Ca 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1nin n ALA 95 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.64 1nin n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 96 N 1.86 0.00 2.85 0.00 0.00 -1.26 -4.74 105.19 103.90 1nin n GLY 96 Ca 0.62 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.21 1nin n GLY 96 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nin n MET 97 N -0.38 3.10 -4.99 1.61 0.00 -1.14 -4.82 117.12 110.49 1nin n MET 97 Ca 0.00 -2.93 -0.32 0.00 -0.00 0.00 0.00 57.70 54.44 1nin n MET 97 Cb 0.00 -3.20 -0.15 0.00 0.00 0.00 0.00 33.22 29.87 1nin n MET 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1nin s VAL 98 N 2.48 2.68 0.33 1.12 1.01 -1.26 -2.02 120.40 124.74 1nin s VAL 98 Ca 0.45 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1nin s VAL 98 Cb 0.12 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 1nin s VAL 98 CO -0.05 0.56 -0.00 -0.83 0.00 0.00 0.00 175.10 174.78 1nin s GLY 99 N -0.12 2.12 -0.04 4.51 0.00 0.26 -4.44 107.32 109.61 1nin s GLY 99 Ca -0.03 -2.08 -0.03 0.00 0.00 0.00 0.00 44.72 42.58 1nin s GLY 99 CO 0.04 -1.91 0.10 1.25 0.00 0.00 0.00 173.10 172.57 1nin s LYS 100 N -3.77 0.11 -0.11 2.90 2.47 0.92 -0.22 119.74 122.04 1nin s LYS 100 Ca 0.34 0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.90 1nin s LYS 100 Cb 0.07 0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.47 1nin s LYS 100 CO 0.15 -0.02 -0.14 -1.50 0.16 0.00 0.00 175.35 174.00 1nin s ILE 101 N 0.10 3.03 -0.26 5.43 2.07 0.08 -0.11 121.20 131.54 1nin s ILE 101 Ca -0.00 -0.69 -0.04 0.00 -1.41 0.00 0.00 60.65 58.51 1nin s ILE 101 Cb -0.01 -2.24 0.01 0.00 0.13 0.00 0.00 42.46 40.35 1nin s ILE 101 CO -0.00 0.54 -0.00 -0.89 -1.91 0.00 0.00 174.94 172.68 1nin s THR 102 N 0.03 3.39 -1.09 4.00 2.01 0.79 -0.95 115.64 123.83 1nin s THR 102 Ca -0.05 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1nin s THR 102 Cb -0.14 -2.69 0.20 0.00 0.01 0.00 0.00 72.50 69.87 1nin s THR 102 CO 0.04 0.21 2.21 0.52 -0.69 0.00 0.00 174.62 176.91 1nin n VAL 103 N 4.77 5.21 0.00 3.82 0.31 -0.75 -0.63 118.33 131.07 1nin n VAL 103 Ca -0.16 -4.74 0.00 0.00 -0.01 0.00 0.00 64.34 59.43 1nin n VAL 103 Cb 0.48 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1nin n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nin n ALA 104 N 0.85 0.00 -0.76 3.52 0.00 -0.99 -4.08 120.51 119.04 1nin n ALA 104 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1nin n ALA 104 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91